Acetic Acid → 4-(2,6-Dichloro-4-trifluoromethylphenyl)-2-isopropylthioaniline

HRID 1142686Notes

Reaction equation

HRID 1142686 reaction equation
[CH3:2][C:3](=[O:4])[OH:5].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:6]([CH3:7])([CH3:8])[S:9][c:10]1[c:11]([N+:28]([O-:29])=[O:30])[cH:12][cH:13][c:14](-[c:16]2[c:17]([Cl:27])[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][c:21]2[Cl:22])[cH:15]1.[Cl:31][c:32]1[s:33][c:34](-[c:35]2[cH:36][cH:37][c:38]([C:39]#[N:40])[c:41]([S:42][CH2:43][CH:44]3[CH2:45][CH2:46]3)[cH:47]2)[cH:48][cH:49]1.[Fe:57].[OH2:1]>>[CH:6]([CH3:7])([CH3:8])[S:9][c:10]1[c:11]([NH2:28])[cH:12][cH:13][c:14](-[c:16]2[c:17]([Cl:27])[cH:18][c:19]([C:23]([F:24])([F:25])[F:26])[cH:20][c:21]2[Cl:22])[cH:15]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1140TolueneHCID 23925IronHCID 22170887[5-(2,6-Dichloro-4-trifluoromethylphenyl)-2-nitrophenyl]isopropyl sulfideHCID 221709074-(5-Chlorothiophen-2-yl)-2-cyclopropylmethylthiobenzonitrile

Product 1

HCID 221709304-(2,6-Dichloro-4-trifluoromethylphenyl)-2-isopropylthioaniline

Sources & evidence

ORD record
ord-d4bac8f6d83d47f6bb84ad59e29d95cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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